Geometry & MOs

Info

ID:	207581
PubChem CID:	80421159
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-150.99
Dipole, Da:	5.4
IP(EA), eV:	-9.18(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-bromophenyl)methyl]morpholin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1COCC(N1CC2=CC=C(C=C2)O)CC(=O)O

DOS

IR

Vibrations